[4-[(2,4-disulfophenyl)-(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium

Systemtic Name: [4-[(2,4-disulfophenyl)-(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium Openeye Name: [4-[(2,4-disulfophenyl)-(p-tolyl)methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium CAS Name: [4-[(2,4-disulfophenyl)-(4-methylphenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium IUPAC Name: [4-[(2,4-disulfophenyl)-(4-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium Traditional Name: [4-[(2,4-disulfophenyl)-(p-tolyl)methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium Formula: C24H26NO6S2+ MolecularWeight: 488.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C=C1)CC

Isomeric SMILES

CC[N+](=C1C=CC(=C(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C=C1)CC

InChI

InChI=1S/C24H25NO6S2/c1-4-25(5-2)20-12-10-19(11-13-20)24(18-8-6-17(3)7-9-18)22-15-14-21(32(26,27)28)16-23(22)33(29,30)31/h6-16H,4-5H2,1-3H3,(H-,26,27,28,29,30,31)/p+1